2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine

C13H20N6 — CID 39782129

IUPAC2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCc2cn[nH]c2)nc(N(C)C)n1
InChIInChI=1S/C13H20N6/c1-10-7-12(17-13(16-10)18(2)3)19(4)6-5-11-8-14-15-9-11/h7-9H,5-6H2,1-4H3,(H,14,15)
InChIKeyMVIWJDHNTJMMCB-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.25
Rot. Bonds5

About 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine

2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 39782129) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID39782129
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCc2cn[nH]c2)nc(N(C)C)n1
InChIInChI=1S/C13H20N6/c1-10-7-12(17-13(16-10)18(2)3)19(4)6-5-11-8-14-15-9-11/h7-9H,5-6H2,1-4H3,(H,14,15)
InChIKeyMVIWJDHNTJMMCB-UHFFFAOYSA-N
XLogP1.25
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine (CID 39782129) is 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine is Cc1cc(N(C)CCc2cn[nH]c2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is MVIWJDHNTJMMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-7-12(17-13(16-10)18(2)3)19(4)6-5-11-8-14-15-9-11/h7-9H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 260.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 39782129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).