N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine

C20H26N4O2 — CID 97484458

IUPACN-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc(CN2CCOC[C@H]2c2nccc(NCC3CC3)n2)cc1
InChIInChI=1S/C20H26N4O2/c1-25-17-6-4-16(5-7-17)13-24-10-11-26-14-18(24)20-21-9-8-19(23-20)22-12-15-2-3-15/h4-9,15,18H,2-3,10-14H2,1H3,(H,21,22,23)/t18-/m0/s1
InChIKeyXYBDDXCVJRPGFK-SFHVURJKSA-N
MW354.45 g/mol
LogP2.88
Rot. Bonds7

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

N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine (PubChem CID 97484458) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
PubChem CID97484458
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc(CN2CCOC[C@H]2c2nccc(NCC3CC3)n2)cc1
InChIInChI=1S/C20H26N4O2/c1-25-17-6-4-16(5-7-17)13-24-10-11-26-14-18(24)20-21-9-8-19(23-20)22-12-15-2-3-15/h4-9,15,18H,2-3,10-14H2,1H3,(H,21,22,23)/t18-/m0/s1
InChIKeyXYBDDXCVJRPGFK-SFHVURJKSA-N
XLogP2.88
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486517
N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487233
N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 97485736
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97487347
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
CID 67042011
[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486330
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 97485536
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
CID 155856046

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine (CID 97484458) is N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine is COc1ccc(CN2CCOC[C@H]2c2nccc(NCC3CC3)n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is XYBDDXCVJRPGFK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-17-6-4-16(5-7-17)13-24-10-11-26-14-18(24)20-21-9-8-19(23-20)22-12-15-2-3-15/h4-9,15,18H,2-3,10-14H2,1H3,(H,21,22,23)/t18-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine?
N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 354.45 g/mol, XLogP of 2.88, 7 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-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97484458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).