N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine

C17H21N3 — CID 133499296

IUPACN,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)CC2(c3ccccc3)CC2)n1
InChIInChI=1S/C17H21N3/c1-13-11-14(2)19-16(18-13)20(3)12-17(9-10-17)15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3
InChIKeyXDGNMVDDXKQPIH-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.26
Rot. Bonds4

About N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine

N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine (PubChem CID 133499296) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine
PubChem CID133499296
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)CC2(c3ccccc3)CC2)n1
InChIInChI=1S/C17H21N3/c1-13-11-14(2)19-16(18-13)20(3)12-17(9-10-17)15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3
InChIKeyXDGNMVDDXKQPIH-UHFFFAOYSA-N
XLogP3.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439
6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
CID 11486612
1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one
CID 18540724
2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetonitrile
CID 117044726
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea
CID 91650124
2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 166414654
2-N-[[1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperidin-4-yl]methyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 91206970
1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one
CID 133499393
carbamoyl 4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidine-1-carboxylate
CID 91254220
N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide
CID 143792358
(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol
CID 97237931

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine?
The IUPAC name of N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine (CID 133499296) is N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine is Cc1cc(C)nc(N(C)CC2(c3ccccc3)CC2)n1.
What is the InChIKey of N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine?
The InChIKey is XDGNMVDDXKQPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-11-14(2)19-16(18-13)20(3)12-17(9-10-17)15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine?
N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine has a molecular weight of 267.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 133499296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).