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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Related Compounds

2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133422665
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133422697
[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol
CID 61445571
6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide
CID 133422716
4-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]-3-fluorobenzonitrile
CID 133422704
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
CID 62911812
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62286973
1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one
CID 115938950
4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzoic acid
CID 55163403
1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperazine
CID 135217005
(1R)-1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937123
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 171429388

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).