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

C13H22N4O — CID 114759513

IUPAC2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESCCCNc1cc(NCC2(CCO)CC2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-6-14-11-8-12(17-10-16-11)15-9-13(3-4-13)5-7-18/h8,10,18H,2-7,9H2,1H3,(H2,14,15,16,17)
InChIKeyMDPAFWQWVDJBQD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.87
Rot. Bonds8

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

2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol (PubChem CID 114759513) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
PubChem CID114759513
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESCCCNc1cc(NCC2(CCO)CC2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-6-14-11-8-12(17-10-16-11)15-9-13(3-4-13)5-7-18/h8,10,18H,2-7,9H2,1H3,(H2,14,15,16,17)
InChIKeyMDPAFWQWVDJBQD-UHFFFAOYSA-N
XLogP1.87
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 133496769
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761666
[1-[[[6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968726
4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80852928
2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885147
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114113415
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233
4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 113491390
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol (CID 114759513) is 2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol is CCCNc1cc(NCC2(CCO)CC2)ncn1.
What is the InChIKey of 2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The InChIKey is MDPAFWQWVDJBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-6-14-11-8-12(17-10-16-11)15-9-13(3-4-13)5-7-18/h8,10,18H,2-7,9H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol has a molecular weight of 250.35 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-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114759513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).