N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine

C10H17N3 — CID 130210355

IUPACN,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(N(C)C)ncc1C(C)C
InChIInChI=1S/C10H17N3/c1-7(2)9-6-11-10(13(4)5)12-8(9)3/h6-7H,1-5H3
InChIKeyKTXSGRFWPAECGM-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.97
Rot. Bonds2

About N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine

N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine (PubChem CID 130210355) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine
PubChem CID130210355
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(N(C)C)ncc1C(C)C
InChIInChI=1S/C10H17N3/c1-7(2)9-6-11-10(13(4)5)12-8(9)3/h6-7H,1-5H3
InChIKeyKTXSGRFWPAECGM-UHFFFAOYSA-N
XLogP1.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine (CID 130210355) is N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine is Cc1nc(N(C)C)ncc1C(C)C.
What is the InChIKey of N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine?
The InChIKey is KTXSGRFWPAECGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9-6-11-10(13(4)5)12-8(9)3/h6-7H,1-5H3.
What are the key properties of N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine?
N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 130210355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).