5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine

C13H23N5 — CID 54274609

IUPAC5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cnc(NC2CCNCC2)nc1NC(C)C
InChIInChI=1S/C13H23N5/c1-9(2)16-12-10(3)8-15-13(18-12)17-11-4-6-14-7-5-11/h8-9,11,14H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyRMNPRGVRGDKELN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.77
Rot. Bonds4

About 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine

5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 54274609) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID54274609
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cnc(NC2CCNCC2)nc1NC(C)C
InChIInChI=1S/C13H23N5/c1-9(2)16-12-10(3)8-15-13(18-12)17-11-4-6-14-7-5-11/h8-9,11,14H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyRMNPRGVRGDKELN-UHFFFAOYSA-N
XLogP1.77
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 54274609) is 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cnc(NC2CCNCC2)nc1NC(C)C.
What is the InChIKey of 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is RMNPRGVRGDKELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9(2)16-12-10(3)8-15-13(18-12)17-11-4-6-14-7-5-11/h8-9,11,14H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine?
5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 54274609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).