N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine

C18H23N5O — CID 97487233

IUPACN-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESc1ccc(CN2CCOC[C@@H]2c2nccc(NCC3CC3)n2)nc1
InChIInChI=1S/C18H23N5O/c1-2-7-19-15(3-1)12-23-9-10-24-13-16(23)18-20-8-6-17(22-18)21-11-14-4-5-14/h1-3,6-8,14,16H,4-5,9-13H2,(H,20,21,22)/t16-/m1/s1
InChIKeyLEDNBABZBDOXGB-MRXNPFEDSA-N
MW325.42 g/mol
LogP2.27
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine

N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (PubChem CID 97487233) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
PubChem CID97487233
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESc1ccc(CN2CCOC[C@@H]2c2nccc(NCC3CC3)n2)nc1
InChIInChI=1S/C18H23N5O/c1-2-7-19-15(3-1)12-23-9-10-24-13-16(23)18-20-8-6-17(22-18)21-11-14-4-5-14/h1-3,6-8,14,16H,4-5,9-13H2,(H,20,21,22)/t16-/m1/s1
InChIKeyLEDNBABZBDOXGB-MRXNPFEDSA-N
XLogP2.27
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (CID 97487233) is N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is c1ccc(CN2CCOC[C@@H]2c2nccc(NCC3CC3)n2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is LEDNBABZBDOXGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-7-19-15(3-1)12-23-9-10-24-13-16(23)18-20-8-6-17(22-18)21-11-14-4-5-14/h1-3,6-8,14,16H,4-5,9-13H2,(H,20,21,22)/t16-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97487233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).