N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine

C17H22N4O2 — CID 97486517

IUPACN-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESc1cc(NCC2CC2)nc([C@@H]2COCCN2Cc2ccoc2)n1
InChIInChI=1S/C17H22N4O2/c1-2-13(1)9-19-16-3-5-18-17(20-16)15-12-23-8-6-21(15)10-14-4-7-22-11-14/h3-5,7,11,13,15H,1-2,6,8-10,12H2,(H,18,19,20)/t15-/m0/s1
InChIKeyZMWVGKBRPVDXNO-HNNXBMFYSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds6

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

N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (PubChem CID 97486517) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
PubChem CID97486517
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESc1cc(NCC2CC2)nc([C@@H]2COCCN2Cc2ccoc2)n1
InChIInChI=1S/C17H22N4O2/c1-2-13(1)9-19-16-3-5-18-17(20-16)15-12-23-8-6-21(15)10-14-4-7-22-11-14/h3-5,7,11,13,15H,1-2,6,8-10,12H2,(H,18,19,20)/t15-/m0/s1
InChIKeyZMWVGKBRPVDXNO-HNNXBMFYSA-N
XLogP2.46
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97484458
N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487233
2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 97485536
N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 97485736
2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155832288
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486330
N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97487347
N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
CID 155856046
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide
CID 124830459
(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine
CID 97486436

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (CID 97486517) is N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is c1cc(NCC2CC2)nc([C@@H]2COCCN2Cc2ccoc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is ZMWVGKBRPVDXNO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-13(1)9-19-16-3-5-18-17(20-16)15-12-23-8-6-21(15)10-14-4-7-22-11-14/h3-5,7,11,13,15H,1-2,6,8-10,12H2,(H,18,19,20)/t15-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97486517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).