4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine

C16H23N7 — CID 122178554

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCC2CCNCC2)n1
InChIInChI=1S/C16H23N7/c1-2-12(1)13-9-15(23-22-13)20-14-5-8-18-16(21-14)19-10-11-3-6-17-7-4-11/h5,8-9,11-12,17H,1-4,6-7,10H2,(H3,18,19,20,21,22,23)
InChIKeyCKGISEYYRLOYIJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.23
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 122178554) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID122178554
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCC2CCNCC2)n1
InChIInChI=1S/C16H23N7/c1-2-12(1)13-9-15(23-22-13)20-14-5-8-18-16(21-14)19-10-11-3-6-17-7-4-11/h5,8-9,11-12,17H,1-4,6-7,10H2,(H3,18,19,20,21,22,23)
InChIKeyCKGISEYYRLOYIJ-UHFFFAOYSA-N
XLogP2.23
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine (CID 122178554) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine is c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCC2CCNCC2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is CKGISEYYRLOYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-2-12(1)13-9-15(23-22-13)20-14-5-8-18-16(21-14)19-10-11-3-6-17-7-4-11/h5,8-9,11-12,17H,1-4,6-7,10H2,(H3,18,19,20,21,22,23).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 313.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 122178554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).