2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine

C19H27N5 — CID 171995509

IUPAC2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(CN2CCC(N(C)c3nccc(N(C)C)n3)C2)cc1
InChIInChI=1S/C19H27N5/c1-15-5-7-16(8-6-15)13-24-12-10-17(14-24)23(4)19-20-11-9-18(21-19)22(2)3/h5-9,11,17H,10,12-14H2,1-4H3
InChIKeyNFPCPFHSQUGLAT-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.56
Rot. Bonds5

About 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 171995509) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
PubChem CID171995509
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(CN2CCC(N(C)c3nccc(N(C)C)n3)C2)cc1
InChIInChI=1S/C19H27N5/c1-15-5-7-16(8-6-15)13-24-12-10-17(14-24)23(4)19-20-11-9-18(21-19)22(2)3/h5-9,11,17H,10,12-14H2,1-4H3
InChIKeyNFPCPFHSQUGLAT-UHFFFAOYSA-N
XLogP2.56
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine (CID 171995509) is 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine is Cc1ccc(CN2CCC(N(C)c3nccc(N(C)C)n3)C2)cc1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is NFPCPFHSQUGLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15-5-7-16(8-6-15)13-24-12-10-17(14-24)23(4)19-20-11-9-18(21-19)22(2)3/h5-9,11,17H,10,12-14H2,1-4H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 325.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171995509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).