1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol

C15H26N4O — CID 138014540

IUPAC1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
SMILESCc1nc(N)ncc1C(C)NCC1(C(O)C(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-9(2)13(20)15(5-6-15)8-18-10(3)12-7-17-14(16)19-11(12)4/h7,9-10,13,18,20H,5-6,8H2,1-4H3,(H2,16,17,19)
InChIKeyBJRQWKXUYLBBFR-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.81
Rot. Bonds6

About 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol

1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol (PubChem CID 138014540) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
PubChem CID138014540
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
SMILESCc1nc(N)ncc1C(C)NCC1(C(O)C(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-9(2)13(20)15(5-6-15)8-18-10(3)12-7-17-14(16)19-11(12)4/h7,9-10,13,18,20H,5-6,8H2,1-4H3,(H2,16,17,19)
InChIKeyBJRQWKXUYLBBFR-UHFFFAOYSA-N
XLogP1.81
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol (CID 138014540) is 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol is Cc1nc(N)ncc1C(C)NCC1(C(O)C(C)C)CC1.
What is the InChIKey of 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The InChIKey is BJRQWKXUYLBBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-9(2)13(20)15(5-6-15)8-18-10(3)12-7-17-14(16)19-11(12)4/h7,9-10,13,18,20H,5-6,8H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(2-amino-4-methylpyrimidin-5-yl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol is sourced from PubChem (CID 138014540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).