N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine

C18H28N6 — CID 95204089

IUPACN,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCc1nc([C@@H]2CCCNC2)cc(N(C)CCCc2cnn(C)c2)n1
InChIInChI=1S/C18H28N6/c1-14-21-17(16-7-4-8-19-12-16)10-18(22-14)23(2)9-5-6-15-11-20-24(3)13-15/h10-11,13,16,19H,4-9,12H2,1-3H3/t16-/m1/s1
InChIKeyAVQREFSMPZGPBX-MRXNPFEDSA-N
MW328.46 g/mol
LogP2.05
Rot. Bonds6

About N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine

N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 95204089) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID95204089
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCc1nc([C@@H]2CCCNC2)cc(N(C)CCCc2cnn(C)c2)n1
InChIInChI=1S/C18H28N6/c1-14-21-17(16-7-4-8-19-12-16)10-18(22-14)23(2)9-5-6-15-11-20-24(3)13-15/h10-11,13,16,19H,4-9,12H2,1-3H3/t16-/m1/s1
InChIKeyAVQREFSMPZGPBX-MRXNPFEDSA-N
XLogP2.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56703021
N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 56711716
4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266504
4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125176371
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
CID 63636731
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118769126
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine
CID 95219866
N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318
3-[(1-methylpyrazol-4-yl)methoxymethyl]piperidine
CID 62340735
3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
CID 103023696

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 95204089) is N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine is Cc1nc([C@@H]2CCCNC2)cc(N(C)CCCc2cnn(C)c2)n1.
What is the InChIKey of N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is AVQREFSMPZGPBX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N6/c1-14-21-17(16-7-4-8-19-12-16)10-18(22-14)23(2)9-5-6-15-11-20-24(3)13-15/h10-11,13,16,19H,4-9,12H2,1-3H3/t16-/m1/s1.
What are the key properties of N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 328.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95204089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).