N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine

C14H25N5 — CID 133309491

IUPACN,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)CCCN2CCN(C)CC2)n1
InChIInChI=1S/C14H25N5/c1-13-5-6-15-14(16-13)18(3)7-4-8-19-11-9-17(2)10-12-19/h5-6H,4,7-12H2,1-3H3
InChIKeyDTOPTXMCXRYKJS-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.86
Rot. Bonds5

About N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine

N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (PubChem CID 133309491) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
PubChem CID133309491
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)CCCN2CCN(C)CC2)n1
InChIInChI=1S/C14H25N5/c1-13-5-6-15-14(16-13)18(3)7-4-8-19-11-9-17(2)10-12-19/h5-6H,4,7-12H2,1-3H3
InChIKeyDTOPTXMCXRYKJS-UHFFFAOYSA-N
XLogP0.86
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (CID 133309491) is N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is Cc1ccnc(N(C)CCCN2CCN(C)CC2)n1.
What is the InChIKey of N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is DTOPTXMCXRYKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-13-5-6-15-14(16-13)18(3)7-4-8-19-11-9-17(2)10-12-19/h5-6H,4,7-12H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 133309491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).