2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol

C14H22N4O — CID 133496769

IUPAC2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2cc(NCC3CC3)ncn2)CC1
InChIInChI=1S/C14H22N4O/c19-6-5-14(3-4-14)9-16-13-7-12(17-10-18-13)15-8-11-1-2-11/h7,10-11,19H,1-6,8-9H2,(H2,15,16,17,18)
InChIKeyJIQVOKAUJGFIJY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.87
Rot. Bonds8

About 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol

2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol (PubChem CID 133496769) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
PubChem CID133496769
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2cc(NCC3CC3)ncn2)CC1
InChIInChI=1S/C14H22N4O/c19-6-5-14(3-4-14)9-16-13-7-12(17-10-18-13)15-8-11-1-2-11/h7,10-11,19H,1-6,8-9H2,(H2,15,16,17,18)
InChIKeyJIQVOKAUJGFIJY-UHFFFAOYSA-N
XLogP1.87
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol (CID 133496769) is 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol is OCCC1(CNc2cc(NCC3CC3)ncn2)CC1.
What is the InChIKey of 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The InChIKey is JIQVOKAUJGFIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-6-5-14(3-4-14)9-16-13-7-12(17-10-18-13)15-8-11-1-2-11/h7,10-11,19H,1-6,8-9H2,(H2,15,16,17,18).
What are the key properties of 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol has a molecular weight of 262.36 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 133496769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).