6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine

C13H21N5 — CID 96555845

IUPAC6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
SMILESCN(c1cc(NC2CC2)ncn1)[C@@H]1CCCNC1
InChIInChI=1S/C13H21N5/c1-18(11-3-2-6-14-8-11)13-7-12(15-9-16-13)17-10-4-5-10/h7,9-11,14H,2-6,8H2,1H3,(H,15,16,17)/t11-/m1/s1
InChIKeyCHCAJYBKVMGBSL-LLVKDONJSA-N
MW247.35 g/mol
LogP1.24
Rot. Bonds4

About 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine

6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine (PubChem CID 96555845) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
PubChem CID96555845
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
SMILESCN(c1cc(NC2CC2)ncn1)[C@@H]1CCCNC1
InChIInChI=1S/C13H21N5/c1-18(11-3-2-6-14-8-11)13-7-12(15-9-16-13)17-10-4-5-10/h7,9-11,14H,2-6,8H2,1H3,(H,15,16,17)/t11-/m1/s1
InChIKeyCHCAJYBKVMGBSL-LLVKDONJSA-N
XLogP1.24
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N,6-N-dimethyl-6-N-piperidin-3-yl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265979
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
N-methyl-N-piperidin-3-yl-6-propan-2-yloxypyrimidin-4-amine
CID 66333032
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
CID 126848416
6-methoxy-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319644
4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115265972
4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 115264218
4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine
CID 115264217

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine (CID 96555845) is 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine is CN(c1cc(NC2CC2)ncn1)[C@@H]1CCCNC1.
What is the InChIKey of 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine?
The InChIKey is CHCAJYBKVMGBSL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N5/c1-18(11-3-2-6-14-8-11)13-7-12(15-9-16-13)17-10-4-5-10/h7,9-11,14H,2-6,8H2,1H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine?
6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 96555845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).