6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C16H27N5O — CID 91767768

IUPAC6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCN(CCCN1CCOCC1)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C16H27N5O/c1-20(3-2-4-21-5-7-22-8-6-21)16-11-15(18-12-19-16)13-9-14(17)10-13/h11-14H,2-10,17H2,1H3
InChIKeyASHLACLDALZEFG-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.84
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 91767768) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID91767768
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCN(CCCN1CCOCC1)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C16H27N5O/c1-20(3-2-4-21-5-7-22-8-6-21)16-11-15(18-12-19-16)13-9-14(17)10-13/h11-14H,2-10,17H2,1H3
InChIKeyASHLACLDALZEFG-UHFFFAOYSA-N
XLogP0.84
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271014
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
[2-Isobutoxy-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutylamine
CID 25129168
cis-3-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl}cyclobutanol
CID 91770488
N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 90054668
6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
N-(tert-butyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50977646
4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 56869819
N-ethyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}propanamide
CID 56886571
N-{rel-(3R,4S)-4-cyclopropyl-1-[2-methyl-2-(4-morpholinyl)propyl]-3-pyrrolidinyl}-6-methyl-4-pyrimidinamine dihydrochloride
CID 72843847
6-isopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
CID 72851576
1-[(6-Ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72858727

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 91767768) is 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is CN(CCCN1CCOCC1)c1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is ASHLACLDALZEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-20(3-2-4-21-5-7-22-8-6-21)16-11-15(18-12-19-16)13-9-14(17)10-13/h11-14H,2-10,17H2,1H3.
What are the key properties of 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 305.43 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 91767768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).