2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine

C18H19N5O2 — CID 97485536

IUPAC2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(Nc2ccnc([C@H]3COCCN3Cc3ccoc3)n2)nc1
InChIInChI=1S/C18H19N5O2/c1-2-6-19-16(3-1)21-17-4-7-20-18(22-17)15-13-25-10-8-23(15)11-14-5-9-24-12-14/h1-7,9,12,15H,8,10-11,13H2,(H,19,20,21,22)/t15-/m1/s1
InChIKeyYKLXZSPQECNXLM-OAHLLOKOSA-N
MW337.38 g/mol
LogP2.78
Rot. Bonds5

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

2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 97485536) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID97485536
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(Nc2ccnc([C@H]3COCCN3Cc3ccoc3)n2)nc1
InChIInChI=1S/C18H19N5O2/c1-2-6-19-16(3-1)21-17-4-7-20-18(22-17)15-13-25-10-8-23(15)11-14-5-9-24-12-14/h1-7,9,12,15H,8,10-11,13H2,(H,19,20,21,22)/t15-/m1/s1
InChIKeyYKLXZSPQECNXLM-OAHLLOKOSA-N
XLogP2.78
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155832288
N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486517
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487233
2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
CID 131644722
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97484458
(3aR,6aS)-1-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124804817
(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97486112
4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine
CID 131640087
(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine
CID 97486436
2-[4-[(2-fluorophenyl)methyl]morpholin-3-yl]-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155844716

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 97485536) is 2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine is c1ccc(Nc2ccnc([C@H]3COCCN3Cc3ccoc3)n2)nc1.
What is the InChIKey of 2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is YKLXZSPQECNXLM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-6-19-16(3-1)21-17-4-7-20-18(22-17)15-13-25-10-8-23(15)11-14-5-9-24-12-14/h1-7,9,12,15H,8,10-11,13H2,(H,19,20,21,22)/t15-/m1/s1.
What are the key properties of 2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine?
2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 337.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 97485536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).