2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine

C23H29N5 — CID 175651595

IUPAC2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCCN(Cc3cccc4ccccc34)C2)n1
InChIInChI=1S/C23H29N5/c1-26(2)23-24-14-13-22(25-23)27(3)20-11-7-15-28(17-20)16-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12-14,20H,7,11,15-17H2,1-3H3
InChIKeySMOQJNQMXVITNM-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.80
Rot. Bonds5

About 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 175651595) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID175651595
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCCN(Cc3cccc4ccccc34)C2)n1
InChIInChI=1S/C23H29N5/c1-26(2)23-24-14-13-22(25-23)27(3)20-11-7-15-28(17-20)16-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12-14,20H,7,11,15-17H2,1-3H3
InChIKeySMOQJNQMXVITNM-UHFFFAOYSA-N
XLogP3.80
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine (CID 175651595) is 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C2CCCN(Cc3cccc4ccccc34)C2)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is SMOQJNQMXVITNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-26(2)23-24-14-13-22(25-23)27(3)20-11-7-15-28(17-20)16-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12-14,20H,7,11,15-17H2,1-3H3.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 375.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 175651595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).