N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine

C12H21N3 — CID 102914055

IUPACN-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
SMILESCC(C)C(CNc1ccncn1)C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)11(10(3)4)7-14-12-5-6-13-8-15-12/h5-6,8-11H,7H2,1-4H3,(H,13,14,15)
InChIKeyRFUFUWXBYFSANC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.82
Rot. Bonds5

About N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine

N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine (PubChem CID 102914055) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
PubChem CID102914055
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
SMILESCC(C)C(CNc1ccncn1)C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)11(10(3)4)7-14-12-5-6-13-8-15-12/h5-6,8-11H,7H2,1-4H3,(H,13,14,15)
InChIKeyRFUFUWXBYFSANC-UHFFFAOYSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
CID 66107458
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 61253596
N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
CID 106286880
3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
CID 106287831
ethane;N-ethylpyrimidin-4-amine
CID 167491074
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
2-[(pyrimidin-4-ylamino)methyl]butanoic acid
CID 65226291
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
N-(4-chloropentyl)pyrimidin-4-amine
CID 106124684
N-(3-phenylbutyl)pyrimidin-4-amine
CID 55152180
1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol
CID 69126945
N-(3-methyl-2-propan-2-ylbutyl)pyrido[2,3-b]pyrazin-6-amine
CID 102913962

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine (CID 102914055) is N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine is CC(C)C(CNc1ccncn1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The InChIKey is RFUFUWXBYFSANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)11(10(3)4)7-14-12-5-6-13-8-15-12/h5-6,8-11H,7H2,1-4H3,(H,13,14,15).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 102914055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).