N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine

C9H17N3 — CID 118973127

IUPACN,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine
SMILESCC1=CC(N(C)C(C)C)N=CN1
InChIInChI=1S/C9H17N3/c1-7(2)12(4)9-5-8(3)10-6-11-9/h5-7,9H,1-4H3,(H,10,11)
InChIKeyRIOBWYQYEGGRMO-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.19
Rot. Bonds2

About N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine

N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine (PubChem CID 118973127) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine
PubChem CID118973127
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine
SMILESCC1=CC(N(C)C(C)C)N=CN1
InChIInChI=1S/C9H17N3/c1-7(2)12(4)9-5-8(3)10-6-11-9/h5-7,9H,1-4H3,(H,10,11)
InChIKeyRIOBWYQYEGGRMO-UHFFFAOYSA-N
XLogP1.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine (CID 118973127) is N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine is CC1=CC(N(C)C(C)C)N=CN1.
What is the InChIKey of N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine?
The InChIKey is RIOBWYQYEGGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)12(4)9-5-8(3)10-6-11-9/h5-7,9H,1-4H3,(H,10,11).
What are the key properties of N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine?
N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine has a molecular weight of 167.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 118973127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).