4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine

C17H17N3O — CID 26006023

IUPAC4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H](C)c2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3O/c1-12(19-17-18-11-10-16(20-17)21-2)14-9-5-7-13-6-3-4-8-15(13)14/h3-12H,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyMQXHWHLYMCAUHS-LBPRGKRZSA-N
MW279.34 g/mol
LogP3.81
Rot. Bonds4

About 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine

4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine (PubChem CID 26006023) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
PubChem CID26006023
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H](C)c2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3O/c1-12(19-17-18-11-10-16(20-17)21-2)14-9-5-7-13-6-3-4-8-15(13)14/h3-12H,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyMQXHWHLYMCAUHS-LBPRGKRZSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine
CID 112637352
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine
CID 154837636
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide
CID 133286517
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
N-(1-chlorobutan-2-yl)-4-methoxypyrimidin-2-amine
CID 65030298
2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine
CID 100936160
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine (CID 26006023) is 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine is COc1ccnc(N[C@@H](C)c2cccc3ccccc23)n1.
What is the InChIKey of 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine?
The InChIKey is MQXHWHLYMCAUHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(19-17-18-11-10-16(20-17)21-2)14-9-5-7-13-6-3-4-8-15(13)14/h3-12H,1-2H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine?
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine is sourced from PubChem (CID 26006023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).