N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

C21H25N5O — CID 112871352

IUPACN-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3cc(NCc4ccco4)nc(C)n3)CC2)c1
InChIInChI=1S/C21H25N5O/c1-16-5-3-6-18(13-16)25-8-10-26(11-9-25)21-14-20(23-17(2)24-21)22-15-19-7-4-12-27-19/h3-7,12-14H,8-11,15H2,1-2H3,(H,22,23,24)
InChIKeyOXDDOLAQYUKZRP-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.63
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112871352) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112871352
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3cc(NCc4ccco4)nc(C)n3)CC2)c1
InChIInChI=1S/C21H25N5O/c1-16-5-3-6-18(13-16)25-8-10-26(11-9-25)21-14-20(23-17(2)24-21)22-15-19-7-4-12-27-19/h3-7,12-14H,8-11,15H2,1-2H3,(H,22,23,24)
InChIKeyOXDDOLAQYUKZRP-UHFFFAOYSA-N
XLogP3.63
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 112871354
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 112867225
[6-(furan-2-ylmethylamino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109155308
N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112869024
[4-(furan-2-ylmethylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109209484
6-N-(furan-2-ylmethyl)-2-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112871445
4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871390
4-[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112870995
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
N-(furan-2-ylmethyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112915331
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
6-(furan-2-ylmethylamino)-2-(3-methylphenyl)pyrimidine-4-carboxylic acid
CID 82170124

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112871352) is N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is Cc1cccc(N2CCN(c3cc(NCc4ccco4)nc(C)n3)CC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is OXDDOLAQYUKZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-5-3-6-18(13-16)25-8-10-26(11-9-25)21-14-20(23-17(2)24-21)22-15-19-7-4-12-27-19/h3-7,12-14H,8-11,15H2,1-2H3,(H,22,23,24).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112871352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).