N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine

C20H27N5 — CID 133422695

IUPACN-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1
InChIInChI=1S/C20H27N5/c1-16-12-21-20(22-13-16)23-14-17-4-6-19(7-5-17)25-10-8-24(9-11-25)15-18-2-3-18/h4-7,12-13,18H,2-3,8-11,14-15H2,1H3,(H,21,22,23)
InChIKeyWXJORYUSFUBUJA-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.93
Rot. Bonds6

About N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine

N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine (PubChem CID 133422695) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine
PubChem CID133422695
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1
InChIInChI=1S/C20H27N5/c1-16-12-21-20(22-13-16)23-14-17-4-6-19(7-5-17)25-10-8-24(9-11-25)15-18-2-3-18/h4-7,12-13,18H,2-3,8-11,14-15H2,1H3,(H,21,22,23)
InChIKeyWXJORYUSFUBUJA-UHFFFAOYSA-N
XLogP2.93
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine (CID 133422695) is N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine is Cc1cnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1.
What is the InChIKey of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine?
The InChIKey is WXJORYUSFUBUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-16-12-21-20(22-13-16)23-14-17-4-6-19(7-5-17)25-10-8-24(9-11-25)15-18-2-3-18/h4-7,12-13,18H,2-3,8-11,14-15H2,1H3,(H,21,22,23).
What are the key properties of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine?
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine has a molecular weight of 337.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 133422695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).