[4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone

C17H25N5O2 — CID 95559101

IUPAC[4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
SMILESNCC[C@@H]1CN(c2ncnc3c2CCN(C(=O)C2CC2)C3)CCO1
InChIInChI=1S/C17H25N5O2/c18-5-3-13-9-21(7-8-24-13)16-14-4-6-22(17(23)12-1-2-12)10-15(14)19-11-20-16/h11-13H,1-10,18H2/t13-/m1/s1
InChIKeyCNWLNZQBAWZXGP-CYBMUJFWSA-N
MW331.42 g/mol
LogP0.33
Rot. Bonds4

About [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone

[4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone (PubChem CID 95559101) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
PubChem CID95559101
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name[4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
SMILESNCC[C@@H]1CN(c2ncnc3c2CCN(C(=O)C2CC2)C3)CCO1
InChIInChI=1S/C17H25N5O2/c18-5-3-13-9-21(7-8-24-13)16-14-4-6-22(17(23)12-1-2-12)10-15(14)19-11-20-16/h11-13H,1-10,18H2/t13-/m1/s1
InChIKeyCNWLNZQBAWZXGP-CYBMUJFWSA-N
XLogP0.33
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone with MolForge

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Related Compounds

methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate
CID 79771135
cyclopropyl-[4-(2-morpholin-4-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56876629
(4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-(oxolan-3-yl)methanone
CID 131638653
(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[(2R)-spiro[2.3]hexan-2-yl]methanone
CID 95562719
cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56878120
2-ethoxy-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 56879436
methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate
CID 81005732
tert-butyl 4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599627
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 62831697
2-(2,5-dimethylphenyl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 70743092
2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 70758392
(5-chloro-3-pyridinyl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 56877933

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone (CID 95559101) is [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone is NCC[C@@H]1CN(c2ncnc3c2CCN(C(=O)C2CC2)C3)CCO1.
What is the InChIKey of [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The InChIKey is CNWLNZQBAWZXGP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O2/c18-5-3-13-9-21(7-8-24-13)16-14-4-6-22(17(23)12-1-2-12)10-15(14)19-11-20-16/h11-13H,1-10,18H2/t13-/m1/s1.
What are the key properties of [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
[4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone has a molecular weight of 331.42 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone is sourced from PubChem (CID 95559101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).