2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine

C15H26N4O — CID 80959752

IUPAC2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
SMILESCCCC(COC)Nc1cc(NCC)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-6-12(10-20-3)17-14-9-13(16-5-2)18-15(19-14)11-7-8-11/h9,11-12H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyJEDAWQPZIDZNTI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.01
Rot. Bonds9

About 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80959752) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80959752
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
SMILESCCCC(COC)Nc1cc(NCC)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-6-12(10-20-3)17-14-9-13(16-5-2)18-15(19-14)11-7-8-11/h9,11-12H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyJEDAWQPZIDZNTI-UHFFFAOYSA-N
XLogP3.01
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 80968993
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 80836840
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565215
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198670
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163143

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine (CID 80959752) is 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine is CCCC(COC)Nc1cc(NCC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is JEDAWQPZIDZNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-6-12(10-20-3)17-14-9-13(16-5-2)18-15(19-14)11-7-8-11/h9,11-12H,4-8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80959752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).