4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine

C17H30N4 — CID 80960192

IUPAC4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)CCN(c1cc(N)nc(C(C)C)n1)C1CCCC1
InChIInChI=1S/C17H30N4/c1-12(2)9-10-21(14-7-5-6-8-14)16-11-15(18)19-17(20-16)13(3)4/h11-14H,5-10H2,1-4H3,(H2,18,19,20)
InChIKeyMNUOMRKSWZXHGE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.98
Rot. Bonds6

About 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80960192) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80960192
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)CCN(c1cc(N)nc(C(C)C)n1)C1CCCC1
InChIInChI=1S/C17H30N4/c1-12(2)9-10-21(14-7-5-6-8-14)16-11-15(18)19-17(20-16)13(3)4/h11-14H,5-10H2,1-4H3,(H2,18,19,20)
InChIKeyMNUOMRKSWZXHGE-UHFFFAOYSA-N
XLogP3.98
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Adriforant
CID 24745335
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
n4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 24797598
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
(R)-N4-cyclopentyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54587790
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 44126357
6-(azepan-1-yl)-N,2-dicyclopropylpyrimidin-4-amine
CID 44409745
N2-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 53233802
(R)-N4-isopropyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54584824

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80960192) is 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)CCN(c1cc(N)nc(C(C)C)n1)C1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MNUOMRKSWZXHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-12(2)9-10-21(14-7-5-6-8-14)16-11-15(18)19-17(20-16)13(3)4/h11-14H,5-10H2,1-4H3,(H2,18,19,20).
What are the key properties of 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).